CID 113253
Einecs 264-226-3
Structural Information
- Molecular Formula
- C24H21NO5
- SMILES
- C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)OCCC4=CC=C(C=C4)CCO)N
- InChI
- InChI=1S/C24H21NO5/c25-22-19(30-12-10-15-7-5-14(6-8-15)9-11-26)13-18(27)20-21(22)24(29)17-4-2-1-3-16(17)23(20)28/h1-8,13,26-27H,9-12,25H2
- InChIKey
- OKZRROQYZKWXOV-UHFFFAOYSA-N
- Compound name
- 1-amino-4-hydroxy-2-[2-[4-(2-hydroxyethyl)phenyl]ethoxy]anthracene-9,10-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 404.14925 | 195.6 |
[M+Na]+ | 426.13119 | 203.4 |
[M-H]- | 402.13469 | 201.1 |
[M+NH4]+ | 421.17579 | 206.6 |
[M+K]+ | 442.10513 | 197.4 |
[M+H-H2O]+ | 386.13923 | 186.2 |
[M+HCOO]- | 448.14017 | 212.6 |
[M+CH3COO]- | 462.15582 | 225.8 |
[M+Na-2H]- | 424.11664 | 197.5 |
[M]+ | 403.14142 | 197.1 |
[M]- | 403.14252 | 197.1 |
Literature stripe
No literature data available for this compound.